1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea

C16H15ClN4OS — CID 42687514

IUPAC1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4OS/c1-2-12-14(15(21-20-12)13-4-3-9-23-13)19-16(22)18-11-7-5-10(17)6-8-11/h3-9H,2H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyJZCZPOPEWNCBET-UHFFFAOYSA-N
MW346.84 g/mol
LogP5.00
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea

1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea (PubChem CID 42687514) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea
PubChem CID42687514
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea
SMILESCCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4OS/c1-2-12-14(15(21-20-12)13-4-3-9-23-13)19-16(22)18-11-7-5-10(17)6-8-11/h3-9H,2H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyJZCZPOPEWNCBET-UHFFFAOYSA-N
XLogP5.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea (CID 42687514) is 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea is CCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea?
The InChIKey is JZCZPOPEWNCBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-2-12-14(15(21-20-12)13-4-3-9-23-13)19-16(22)18-11-7-5-10(17)6-8-11/h3-9H,2H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea?
1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea has a molecular weight of 346.84 g/mol, XLogP of 5.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 42687514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).